N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S/c1-3-4-10-29-16-7-5-6-14(11-16)20(28)24-21(31)26-25-19(27)13(2)30-18-9-8-15(22)12-17(18)23/h5-9,11-13H,3-4,10H2,1-2H3,(H,25,27)(H2,24,26,28,31)